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{
"id": "mp-759229",
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"structure_string": "Li16 Fe8 P8 O32 F8\n1.0\n5.124178 0.000000 0.000000\n0.000000 13.094160 0.000000\n0.000000 6.370499 11.448589\nLi Fe P O F\n16 8 8 32 8\ndirect\n0.733904 0.348092 0.826814 Li\n0.730249 0.577588 0.597305 Li\n0.230249 0.422412 0.902695 Li\n0.722643 0.850709 0.324346 Li\n0.233904 0.651908 0.673186 Li\n0.274106 0.920731 0.171279 Li\n0.774106 0.079269 0.328721 Li\n0.777357 0.850709 0.824346 Li\n0.222643 0.149291 0.175654 Li\n0.225894 0.920731 0.671279 Li\n0.725894 0.079269 0.828721 Li\n0.766096 0.348092 0.326814 Li\n0.277357 0.149291 0.675654 Li\n0.769751 0.577588 0.097305 Li\n0.269751 0.422412 0.402695 Li\n0.266096 0.651908 0.173186 Li\n0.275191 0.422219 0.673085 Fe\n0.775191 0.577781 0.826915 Fe\n0.227781 0.923744 0.402802 Fe\n0.727781 0.076256 0.097198 Fe\n0.272219 0.923744 0.902802 Fe\n0.772219 0.076256 0.597198 Fe\n0.224809 0.422219 0.173085 Fe\n0.724809 0.577781 0.326915 Fe\n0.217058 0.165535 0.919180 P\n0.213558 0.666572 0.417640 P\n0.286442 0.666572 0.917640 P\n0.717058 0.834465 0.580820 P\n0.282942 0.165535 0.419180 P\n0.713558 0.333428 0.082360 P\n0.786442 0.333428 0.582360 P\n0.782942 0.834465 0.080820 P\n0.911016 0.155795 0.925064 O\n0.667621 0.394522 0.647827 O\n0.300967 0.295419 0.853352 O\n0.908057 0.661268 0.412992 O\n0.307445 0.604092 0.546194 O\n0.807445 0.395908 0.953806 O\n0.311484 0.794964 0.357928 O\n0.670737 0.897779 0.145911 O\n0.800967 0.704581 0.646648 O\n0.167621 0.605478 0.852173 O\n0.591943 0.661268 0.912992 O\n0.829095 0.891747 0.455146 O\n0.411016 0.844205 0.574936 O\n0.329095 0.108253 0.044854 O\n0.188516 0.794964 0.857928 O\n0.829263 0.897779 0.645911 O\n0.170737 0.102221 0.354089 O\n0.811484 0.205036 0.142072 O\n0.670905 0.891747 0.955146 O\n0.588984 0.155795 0.425064 O\n0.170905 0.108253 0.544854 O\n0.408057 0.338732 0.087008 O\n0.832379 0.394522 0.147827 O\n0.199033 0.295419 0.353352 O\n0.329263 0.102221 0.854089 O\n0.688516 0.205036 0.642072 O\n0.192555 0.604092 0.046194 O\n0.692555 0.395908 0.453806 O\n0.091943 0.338732 0.587008 O\n0.699033 0.704581 0.146648 O\n0.332379 0.605478 0.352173 O\n0.088984 0.844205 0.074936 O\n0.986892 0.489337 0.736159 F\n0.486892 0.510663 0.763841 F\n0.020310 0.989629 0.232352 F\n0.520310 0.010371 0.267648 F\n0.479690 0.989629 0.732352 F\n0.979690 0.010371 0.767648 F\n0.513108 0.489337 0.236159 F\n0.013108 0.510663 0.263841 F\n",
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"formula_full": "Li16 Fe8 P8 O32 F8",
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},
{
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"created_at": "2022-09-04T14:41:55.624026Z",
"structure_string": "La8 S8 I8\n1.0\n7.133963 0.000000 0.000000\n0.000000 7.395531 0.000000\n0.000000 0.000000 14.730781\nLa S I\n8 8 8\ndirect\n0.257265 0.970317 0.916485 La\n0.742735 0.029683 0.083515 La\n0.242735 0.470317 0.083515 La\n0.742735 0.529683 0.416485 La\n0.757265 0.529683 0.916485 La\n0.257265 0.470317 0.583515 La\n0.757265 0.029683 0.583515 La\n0.242735 0.970317 0.416485 La\n0.999349 0.742813 0.522878 S\n0.000651 0.257187 0.477122 S\n0.500651 0.242813 0.477122 S\n0.000651 0.757187 0.022878 S\n0.499349 0.757187 0.522878 S\n0.999349 0.242813 0.977122 S\n0.499349 0.257187 0.977122 S\n0.500651 0.742813 0.022878 S\n0.182986 0.593643 0.801062 I\n0.817014 0.406357 0.198938 I\n0.317014 0.093643 0.198938 I\n0.817014 0.906357 0.301062 I\n0.682986 0.906357 0.801062 I\n0.182986 0.093643 0.698938 I\n0.682986 0.406357 0.698938 I\n0.317014 0.593643 0.301062 I\n",
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"formula_full": "La8 S8 I8",
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{
"id": "mp-1218249",
"created_at": "2022-09-04T14:42:03.798017Z",
"structure_string": "Sr2 La8 Si6 O26\n1.0\n4.884216 -8.459711 0.000000\n4.884216 8.459711 0.000000\n0.000000 0.000000 7.273465\nSr La Si O\n2 8 6 26\ndirect\n0.333333 0.666667 0.499850 Sr\n0.666667 0.333333 0.999850 Sr\n0.666667 0.333333 0.499979 La\n0.333333 0.666667 0.999979 La\n0.232287 0.988768 0.250468 La\n0.756481 0.767713 0.250468 La\n0.011232 0.243519 0.250468 La\n0.767713 0.011232 0.750468 La\n0.243519 0.232287 0.750468 La\n0.988768 0.756481 0.750468 La\n0.970637 0.600386 0.248873 Si\n0.629749 0.029363 0.248873 Si\n0.399614 0.370251 0.248873 Si\n0.029363 0.399614 0.748873 Si\n0.370251 0.970637 0.748873 Si\n0.600386 0.629749 0.748873 Si\n0.162642 0.678766 0.244724 O\n0.516123 0.837358 0.244724 O\n0.321234 0.483877 0.244724 O\n0.837358 0.321234 0.744724 O\n0.483877 0.162642 0.744724 O\n0.678766 0.516123 0.744724 O\n0.910408 0.657864 0.431146 O\n0.747457 0.089592 0.431146 O\n0.342136 0.252543 0.431146 O\n0.089592 0.342136 0.931146 O\n0.252543 0.910408 0.931146 O\n0.657864 0.747457 0.931146 O\n0.088076 0.338415 0.569678 O\n0.250339 0.911924 0.569678 O\n0.661585 0.749661 0.569678 O\n0.911924 0.661585 0.069678 O\n0.749661 0.088076 0.069678 O\n0.338415 0.250339 0.069678 O\n0.877033 0.406026 0.254934 O\n0.528993 0.122967 0.254934 O\n0.593974 0.471007 0.254934 O\n0.122967 0.593974 0.754934 O\n0.471007 0.877033 0.754934 O\n0.406026 0.528993 0.754934 O\n0.000000 0.000000 0.250686 O\n0.000000 0.000000 0.750686 O\n",
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"formula_full": "Sr2 La8 Si6 O26",
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{
"id": "mp-1211580",
"created_at": "2022-09-04T14:41:54.581377Z",
"structure_string": "K4 Gd4 Mo8 O32\n1.0\n5.193071 0.000000 0.000000\n0.000000 8.225576 0.000000\n0.000000 0.000000 18.520483\nK Gd Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.769904 K\n0.000000 0.250000 0.230096 K\n0.500000 0.250000 0.730096 K\n0.500000 0.750000 0.269904 K\n0.000000 0.750000 0.006197 Gd\n0.000000 0.250000 0.993803 Gd\n0.500000 0.250000 0.493803 Gd\n0.500000 0.750000 0.506197 Gd\n0.023361 0.516545 0.398879 Mo\n0.976639 0.483455 0.601121 Mo\n0.476639 0.016545 0.101121 Mo\n0.976639 0.983455 0.398879 Mo\n0.523361 0.983455 0.898879 Mo\n0.023361 0.016545 0.601121 Mo\n0.523361 0.483455 0.101121 Mo\n0.476639 0.516545 0.898879 Mo\n0.102100 0.974674 0.310946 O\n0.897900 0.025326 0.689054 O\n0.397900 0.474674 0.189054 O\n0.897900 0.525326 0.310946 O\n0.602100 0.525326 0.810946 O\n0.102100 0.474674 0.689054 O\n0.602100 0.025326 0.189054 O\n0.397900 0.974674 0.810946 O\n0.272150 0.839930 0.099538 O\n0.727850 0.160070 0.900462 O\n0.227850 0.339930 0.400462 O\n0.727850 0.660070 0.099538 O\n0.772150 0.660070 0.599538 O\n0.272150 0.339930 0.900462 O\n0.772150 0.160070 0.400462 O\n0.227850 0.839930 0.599538 O\n0.252236 0.503723 0.035398 O\n0.747764 0.496277 0.964602 O\n0.247764 0.003723 0.464602 O\n0.747764 0.996277 0.035398 O\n0.752236 0.996277 0.535398 O\n0.252236 0.003723 0.964602 O\n0.752236 0.496277 0.464602 O\n0.247764 0.503723 0.535398 O\n0.243491 0.687763 0.406937 O\n0.756509 0.312237 0.593063 O\n0.256509 0.187763 0.093063 O\n0.756509 0.812237 0.406937 O\n0.743491 0.812237 0.906937 O\n0.243491 0.187763 0.593063 O\n0.743491 0.312237 0.093063 O\n0.256509 0.687763 0.906937 O\n",
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{
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"structure_string": "Mg14 Nb1 Fe1 O16\n1.0\n8.634410 0.000000 -0.000000\n0.000000 8.643231 0.000000\n-0.000000 0.000000 4.274602\nMg Nb Fe O\n14 1 1 16\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.245619 0.500000 Mg\n-0.000000 0.754381 0.500000 Mg\n0.500000 0.249263 0.500000 Mg\n0.500000 0.750737 0.500000 Mg\n0.252832 -0.000000 0.500000 Mg\n0.255245 0.500000 0.500000 Mg\n0.747168 -0.000000 0.500000 Mg\n0.744755 0.500000 0.500000 Mg\n0.252648 0.247140 -0.000000 Mg\n0.252648 0.752860 -0.000000 Mg\n0.747352 0.247140 -0.000000 Mg\n0.747352 0.752860 0.000000 Mg\n-0.000000 0.500000 0.000000 Nb\n-0.000000 -0.000000 0.000000 Fe\n0.258219 -0.000000 0.000000 O\n0.262063 0.500000 0.000000 O\n0.741781 -0.000000 0.000000 O\n0.737937 0.500000 -0.000000 O\n0.248973 0.249730 0.500000 O\n0.248973 0.750270 0.500000 O\n0.751027 0.249730 0.500000 O\n0.751027 0.750270 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.243907 0.000000 O\n-0.000000 0.756093 0.000000 O\n0.500000 0.249592 0.000000 O\n0.500000 0.750408 0.000000 O\n",
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{
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"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n6.974227 0.000000 0.000000\n0.000000 5.820766 0.000000\n0.000000 0.007469 5.936603\nLi Ca Ga N\n4 4 4 8\ndirect\n0.105670 0.632450 0.409458 Li\n0.894330 0.367550 0.590542 Li\n0.394330 0.632450 0.909458 Li\n0.605670 0.367550 0.090542 Li\n0.626748 0.022470 0.757467 Ca\n0.373252 0.977530 0.242533 Ca\n0.873252 0.022470 0.257467 Ca\n0.126748 0.977530 0.742533 Ca\n0.359584 0.375857 0.578289 Ga\n0.140416 0.375857 0.078289 Ga\n0.640416 0.624143 0.421711 Ga\n0.859584 0.624143 0.921711 Ga\n0.137681 0.259466 0.402238 N\n0.637681 0.740534 0.097762 N\n0.111484 0.721824 0.069306 N\n0.862319 0.740534 0.597762 N\n0.388516 0.721824 0.569306 N\n0.888516 0.278176 0.930694 N\n0.611484 0.278176 0.430694 N\n0.362319 0.259466 0.902238 N\n",
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{
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"structure_string": "Cs2 Na1 Ga1 Br6\n1.0\n0.000000 5.575277 5.575277\n5.575277 0.000000 5.575277\n5.575277 5.575277 0.000000\nCs Na Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.768041 0.231959 0.231959 Br\n0.231959 0.231959 0.768041 Br\n0.231959 0.768041 0.768041 Br\n0.231959 0.768041 0.231959 Br\n0.768041 0.231959 0.768041 Br\n0.768041 0.768041 0.231959 Br\n",
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{
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"structure_string": "Zn10 S10\n1.0\n1.926544 -3.336873 0.000000\n1.926544 3.336873 0.000000\n0.000000 0.000000 31.512556\nZn S\n10 10\ndirect\n0.000000 0.000000 0.600027 Zn\n0.666667 0.333333 0.200027 Zn\n0.666667 0.333333 0.800020 Zn\n0.333333 0.666667 0.700027 Zn\n0.000000 0.000000 0.300027 Zn\n0.000000 0.000000 0.000019 Zn\n0.333333 0.666667 0.900039 Zn\n0.666667 0.333333 0.500027 Zn\n0.333333 0.666667 0.100039 Zn\n0.333333 0.666667 0.400027 Zn\n0.000000 0.000000 0.075005 S\n0.000000 0.000000 0.674974 S\n0.333333 0.666667 0.974936 S\n0.333333 0.666667 0.474973 S\n0.666667 0.333333 0.574972 S\n0.333333 0.666667 0.774941 S\n0.666667 0.333333 0.274973 S\n0.333333 0.666667 0.174968 S\n0.000000 0.000000 0.374973 S\n0.666667 0.333333 0.875006 S\n",
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